SCHEMBL21394484

SCHEMBL21394484

O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1=NN(CCO)C(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.52
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ABL1 P00519 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.43
GPER1 Q99527 1/20 0.42
NFKB1 P19838 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22479450 0.94 SCD (0.49) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL21394430 0.90 SCD (0.51) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL21394882 0.88 SCD (0.52) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL29353798 0.88 SCD (0.52) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL29353730 0.82 SCD (0.53) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL21394972 0.82 SCD (0.53) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL21394797 0.79 SCD (0.49) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL21394864 0.78 LMNA (0.62) SCDKMT2ARAB9AMEN1NPC1
SCHEMBL21395165 0.77 ABL1 (0.61) SCDKMT2AMEN1MAPTABL1
SCHEMBL21395007 0.77 RAB9A (0.59) KMT2ARAB9AMEN1NPC1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed